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At least 1,099 records · Page 61

Axion Dark Matter

Axions are well-motivated dark matter candidates with simple cosmological production mechanisms. They were originally introduced to solve the strong CP problem, but also arise in a wide range of extensions to the Standard Model. This Snowmass white paper summarizes axion phenomenology and outlines next-generation laboratory experiments proposed to detect axion dark matter. There are vibrant synergies with astrophysical searches and advances in instrumentation including quantum-enabled readout, high-Q resonators and cavities and large high-field magnets. This white paper outlines a clear roadmap to discovery, and shows that the US is well-positioned to be at the forefront of the search for axion dark matter in the coming decade.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Searching for long-lived particles beyond the Standard Model at the Large Hadron Collider

Particles beyond the Standard Model (SM) can generically have lifetimes that are long compared to SM particles at the weak scale. When produced at experiments such as the Large Hadron Collider (LHC) at CERN, these long-lived particles (LLPs) can decay far from the interaction vertex of the primary proton–proton collision. Such LLP signatures are distinct from those of promptly decaying particles that are targeted by the majority of searches for new physics at the LHC, often requiring customized techniques to identify, for example, significantly displaced decay vertices, tracks with atypical properties, and short track segments. Given their non-standard nature, a comprehensive overview of LLP signatures at the LHC is beneficial to ensure that possible avenues of the discovery of new physics are not overlooked. Here we report on the joint work of a community of theorists and experimentalists with the ATLAS, CMS, and LHCb experiments—as well as those working on dedicated experiments such as MoEDAL, milliQan, MATHUSLA, CODEX-b, and FASER—to survey the current state of LLP searches at the LHC, and to chart a path for the development of LLP searches into the future, both in the upcoming Run 3 and at the high-luminosity LHC. The work is organized around the current and future potential capabilities of LHC experiments to generally discover new LLPs, and takes a signature-based approach to surveying classes of models that give rise to LLPs rather than emphasizing any particular theory motivation. We develop a set of simplified models; assess the coverage of current searches; document known, often unexpected backgrounds; explore the capabilities of proposed detector upgrades; provide recommendations for the presentation of search results; and look towards the newest frontiers, namely high-multiplicity 'dark showers', highlighting opportunities for expanding the LHC reach for these signals.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Software-defined network for end-to-end networked science at the exascale

Domain science applications and workflow processes are currently forced to view the network as an opaque infrastructure into which they inject data and hope that it emerges at the destination with an acceptable Quality of Experience. There is little ability for applications to interact with the network to exchange information, negotiate performance parameters, discover expected performance metrics, or receive status/troubleshooting information in real time. The work presented here is motivated by a vision for a new smart network and smart application ecosystem that will provide a more deterministic and interactive environment for domain science workflows. The Software-Defined Network for End-to-end Networked Science at Exascale (SENSE) system includes a model-based architecture, implementation, and deployment which enables automated end- to-end network service instantiation across administrative domains. An intent based interface allows applications to express their high-level service requirements, an intelligent orchestrator and resource control systems allow for custom tailoring of scalability and real-time responsiveness based on individual application and infrastructure operator requirements. This allows the science applications to manage the network as a first-class schedulable resource as is the current practice for instruments, compute, and storage systems. Deployment and experiments on production networks and testbeds have validated SENSE functions and performance. Emulation based testing verified the scalability needed to support research and education infrastructures. Key contributions of this work include an architecture definition, reference implementation, and deployment. This provides the basis for further innovation of smart network services to accelerate scientific discovery in the era of big data, cloud computing, machine learning and artificial intelligence.

47 OTHER INSTRUMENTATION↗

A Deep Learning Based Framework to Identify Undocumented Orphaned Oil and Gas Wells from Historical Maps: A Case Study for California and Oklahoma

Undocumented Orphaned Wells (UOWs) are wells without an operator that have limited or no documentation with regulatory authorities. An estimated 310,000 to 800,000 UOWs exist in the United States (US), whose locations are largely unknown. These wells can potentially leak methane and other volatile organic compounds to the atmosphere, and contaminate groundwater. In this study, we developed a novel framework utilizing a state-of-the-art computer vision neural network model to identify the precise locations of potential UOWs. The U-Net model is trained to detect oil and gas well symbols in georeferenced historical topographic maps, and potential UOWs are identified as symbols that are further than 100 m from any documented well. A custom tool was developed to rapidly validate the potential UOW locations. We applied this framework to four counties in California and Oklahoma, leading to the discovery of 1301 potential UOWs across >40,000 km 2 . We confirmed the presence of 29 UOWs from satellite images and 15 UOWs from magnetic surveys in the field with a spatial accuracy on the order of 10 m. This framework can be scaled to identify potential UOWs across the US since the historical maps are available for the entire nation.

54 ENVIRONMENTAL SCIENCES↗

Electron correlation effects on exchange interactions and spin excitations in 2D van der Waals materials

Despite serious effort, the nature of the magnetic interactions and the role of electron-correlation effects in magnetic two-dimensional (2D) van der Waals materials remains elusive. Using CrI 3 as a model system, we show that the calculated electronic structure including nonlocal electron correlations yields spin excitations consistent with inelastic neutron-scattering measurements. Remarkably, this approach identifies an unreported correlation-enhanced interlayer super-superexchange, which rotates the magnon Dirac lines off, and introduces a gap along the high-symmetry Γ-K-M path. This discovery provides a different perspective on the gap-opening mechanism observed in CrI 3 , which was previously associated with spin–orbit coupling through the Dzyaloshinskii–Moriya interaction or Kitaev interaction. Our observation elucidates the critical role of electron correlations on the spin ordering and spin dynamics in magnetic van der Waals materials and demonstrates the necessity of explicit treatment of electron correlations in the broad family of 2D magnetic materials.

36 MATERIALS SCIENCE↗

Visualizing electronic structure of twisted bilayer MoTe 2 in devices

The pursuit of emergent quantum phenomena lies at the forefront of modern condensed matter physics. A recent breakthrough in this arena is the discovery of the fractional quantum anomalous Hall effect (FQAHE) in twisted bilayer MoTe₂ (tbMoTe₂), marking a paradigm shift and establishing a versatile platform for exploring the intricate interplay among topology, magnetism, and electron correlations. While significant progress has been made through both optical and electrical transport measurements, direct experimental insights into the electronic structure – crucial for understanding and modeling this system – have remained elusive. Here, using spatially and angle-resolved photoemission spectroscopy (μ-ARPES), we directly map the electronic band structure of tbMoTe₂. We identify the valence band maximum, whose partial filling underlies the FQAHE, at the K points, situated approximately 150 meV above the Γ valley. By fine-tuning the doping level via in-situ alkali metal deposition, we also resolve the conduction band minimum at the K point, providing direct evidence that tbMoTe₂ exhibits a direct band gap – distinct from all previously known moiré bilayer transition metal dichalcogenide systems. These results offer critical insights for theoretical modeling and advance our understanding of fractionalized excitations and correlated topological phases in this emergent quantum material.

Chen, Cheng [Univ. of Oxford (United Kingdom)]↗

Metallofullerene photoswitches driven by photoinduced fullerene-to-metal electron transfer

We report on the discovery and detailed exploration of the unconventional photo-switching mechanism in metallofullerenes, in which the energy of the photon absorbed by the carbon cage π-system is transformed to mechanical motion of the endohedral cluster accompanied by accumulation of spin density on the metal atoms. Comprehensive photophysical and electron paramagnetic resonance (EPR) studies augmented by theoretical modelling are performed to address the phenomenon of the light-induced photo-switching and triplet state spin dynamics in a series of Y x Sc 3-x N@C 80 (x = 0–3) nitride clusterfullerenes. Variable temperature and time-resolved photoluminescence studies revealed a strong dependence of their photophysical properties on the number of Sc atoms in the cluster. All molecules in the series exhibit temperature-dependent luminescence assigned to the near-infrared thermally-activated delayed fluorescence (TADF) and phosphorescence. The emission wavelengths and Stokes shift increase systematically with the number of Sc atoms in the endohedral cluster, whereas the triplet state lifetime and S 1 –T 1 gap decrease in this row. For Sc 3 N@C 80 , we also applied photoelectron spectroscopy to obtain the triplet state energy as well as the electron affinity. Spin distribution and dynamics in the triplet states are then studied by light-induced pulsed EPR and ENDOR spectroscopies. The spin–lattice relaxation times and triplet state lifetimes are determined from the temporal evolution of the electron spin echo after the laser pulse. Well resolved ENDOR spectra of triplets with a rich structure caused by the hyperfine and quadrupolar interactions with 14 N, 45 Sc, and 89 Y nuclear spins are obtained. The systematic increase of the metal contribution to the triplet spin density from Y 3 N to Sc 3 N found in the ENDOR study points to a substantial fullerene-to-metal charge transfer in the excited state. These experimental results are rationalized with the help of ground-state and time-dependent DFT calculations, which revealed a substantial variation of the endohedral cluster position in the photoexcited states driven by the predisposition of Sc atoms to maximize their spin population.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Variable stars in Local Group galaxies – V. The fast and early evolution of the low-mass Eridanus II dSph galaxy

ABSTRACT We present a detailed study of the variable star population of Eridanus II (Eri II), an ultra-faint dwarf galaxy that lies close to the Milky Way virial radius. We analyse multi-epoch g, r, i ground-based data from Goodman and the Dark Energy Camera, plus F475W, F606W, F814W space data from the Advanced Camera for Surveys. We report the detection of 67 RR Lyrae (RRL) stars and 2 Anomalous Cepheids, most of them new discoveries. With the RRL stars, we measure the distance modulus of Eri II, μ0 = 22.84 ± 0.05 mag (D⊙ = 370 ± 9 kpc), and derive a metallicity spread of 0.3 dex (0.2 dex intrinsic). The colour distribution of the horizontal branch (HB) and the period distribution of the RRL stars can be nicely reproduced by a combination of two stellar models of [Fe/H] = (−2.62, −2.14). The overall low metallicity is consistent with the red giant branch bump location, 0.65 mag brighter than the HB. These results are in agreement with previous spectroscopic studies. The more metal-rich RRL and the RRab stars have greater central concentration than the more metal-poor RRL and the RRc stars that are mainly located outside ∼1 rh. This is similar to what is found in larger dwarf galaxies such as Sculptor, and in agreement with an outside-in galaxy formation scenario. This is remarkable in such a faint dwarf galaxy with an apparently single and extremely short (<1 Gyr) star formation burst. Finally, we have derived new and independent structural parameters for Eri II and its star cluster using our new data that are in very good agreement with previous estimates.

79 ASTRONOMY AND ASTROPHYSICS↗

First principles study of the Fermi surface topology of CeCu 2 ⁢Si 2

Since the discovery of heavy-fermion superconductivity in CeCu 2 ⁢Si 2 , the material has attracted great interest, particularly with regard to the nature of the superconducting pairing and its mechanism. Consequently, it is essential to better understand the electronic Fermi surface topology and its role in strong antiferromagnetic fluctuations. The standard density functional theory method is insufficient to model the interplay of strong on-site Coulomb repulsion in localized 4⁢𝑓 electrons and their hybridization with itinerant ligand-orbital electrons. We have performed electronic ground-state calculations on CeCu 2 ⁢Si 2 using the Gutzwiller wave function approximation. The Gutzwiller approximation captures the quasiparticle band renormalization from the strong on-site Coulomb repulsion. We have performed an analysis of this effect on the electronic structure and the Fermi surface topology by varying the interaction strength and taking into account the crystal-field splitting. Using the de Haas-van Alphen effect, the extremal Fermi surface cross-sectional areas were calculated to quantify the effects of quasiparticle mass renormalization on the Fermi surface. Our results confirm the presence of two Fermi surface sheets corresponding to the heavy (488⁢𝑚 𝑒 ) and light (4.35⁢𝑚 𝑒 ) quasiparticles when the crystal-field splitting is accounted for on equal footing with the electronic correlations. This method gives the best agreement with experimental measurements as well as the renormalized band method.

36 MATERIALS SCIENCE↗

Increasing Rubisco as a simple means to enhance photosynthesis and productivity now without lowering nitrogen use efficiency

Summary Global demand for food may rise by 60% mid‐century. A central challenge is to meet this need using less land in a changing climate. Nearly all crop carbon is assimilated through Rubisco, which is catalytically slow, reactive with oxygen, and a major component of leaf nitrogen. Developing more efficient forms of Rubisco, or engineering CO 2 concentrating mechanisms into C 3 crops to competitively repress oxygenation, are major endeavors, which could hugely increase photosynthetic productivity (≥ 60%). New technologies are bringing this closer, but improvements remain in the discovery phase and have not been reduced to practice. A simpler shorter‐term strategy that could fill this time gap, but with smaller productivity increases (c. 10%) is to increase leaf Rubisco content. This has been demonstrated in initial field trials, improving the productivity of C 3 and C 4 crops. Combining three‐dimensional leaf canopies with metabolic models infers that a 20% increase in Rubisco increases canopy photosynthesis by 14% in sugarcane (C 4 ) and 9% in soybean (C 3 ). This is consistent with observed productivity increases in rice, maize, sorghum and sugarcane. Upregulation of Rubisco is calculated not to require more nitrogen per unit yield and although achieved transgenically to date, might be achieved using gene editing to produce transgene‐free gain of function mutations or using breeding.

Plant Sciences↗

Soft X-Ray Tomography Has Evolved into a Powerful Tool for Revealing Cell Structures

Over the past three decades, soft X-ray tomography (SXT) has rapidly evolved from a proof-of-concept microscopy method into a high-throughput quantitative imaging modality. This advancement enables researchers to address central questions in cell biology. Despite its relatively short developmental period compared to light and electron microscopy, SXT has emerged as a powerful imaging technology. It enables measuring chemical changes in cellular organelles, analyzing three-dimensional structures of whole cells and creating digital cellular models to study cell motility. We discuss the unique nature of SXT to visualize cells without fixation or labeling, enabling quantitative analyses of organelle chemical composition. We explore SXT microscopes available worldwide, SXT segmentation software, and the diverse cell types studied using this technique. We conclude with emerging directions in SXT imaging, including a brief discussion of recent discoveries that are highly influential and likely to become integral to cell biology textbooks.

Weinhardt, Venera↗

Research in Neutrinoless Double-Beta Decay (Final Report)

The research objective of the supported work was to search for neutrinoless double-beta decay in 76 Ge and investigate and identify backgrounds to a double-beta decay search. Understanding the neutrino mass generation mechanism, the absolute neutrino mass scale, the neutrino mass spectrum, and the possible Majorana nature of neutrinos are some of the future discoveries of the next generation neutrino experiments. The Majorana collaboration operated the Demonstrator experiment comprising 44 kg (30 kg enriched in 76 Ge) of Ge detectors in total split between two modules contained in a low background shield at the Sanford Underground Research Facility in Lead, South Dakota. Observation of 0νββ would have profound implications for the Standard Model of particle physics by demonstrating that neutrinos are Majorana particles, that lepton number is not conserved, and it would provide a measure of the effective Majorana neutrino mass. The decay rate of 0νββ is incredibly small and may only produce a few signature events in a detector per year. Therefore, observation of this rare process demands a careful study and implementation of signal processing, detector design, and new levels of background suppression.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

C/2014 UN 271 (Bernardinelli-Bernstein): The Nearly Spherical Cow of Comets

Abstract Comet C/2014 UN 271 (Bernardinelli-Bernstein), incoming from the Oort cloud, is remarkable in having the brightest (and presumably largest) nucleus of any well-measured comet and having been discovered at the heliocentric distance r h ≈ 29 au, farther than any Oort cloud comet. In this work, we describe the discovery process and observations and the properties that can be inferred from images recorded until the first reports of activity in 2021 June. The orbit has i = 95°, with a perihelion of 10.97 au to be reached in 2031 and a previous aphelion at 40,400 ± 260 au. Backward integration of the orbit under a standard Galactic tidal model and known stellar encounters suggests a perihelion of q ≈ 18 au on its previous perihelion passage 3.5 Myr ago; hence, the current data could be the first ever obtained of a comet that has not been inside Uranus’s orbit in 4 Gyr. The photometric data show an unresolved nucleus with absolute magnitude H r = 8.0, colors that are typical of comet nuclei or Damocloids, and no secular trend as it traversed the range 34–23 au. For the r -band geometric albedo p r , this implies a diameter of 150 ( p r / 0.04 ) − 0.5 km. There is strong evidence of brightness fluctuations at the ±0.2 mag level, but no rotation period can be discerned. A coma, nominally consistent with a “stationary” 1/ ρ surface brightness distribution, grew in scattering cross section at an exponential rate from A f ρ ≈ 1 to ≈150 m as the comet approached from 28 to 20 au. The activity rate is consistent with a very simple model of sublimation of a surface species in radiative equilibrium with the Sun. The inferred enthalpy of sublimation matches those of CO 2 and NH 3 . More volatile species, such as N 2 , CH 4 , and CO, must be far less abundant on the sublimating surfaces.

79 ASTRONOMY AND ASTROPHYSICS↗

Status and prospects of discovery of 0νββ decay with the CUORE detector

In this contribution we present the achievements of the CUORE experiment so far. It is the first tonne-scale bolometric detector and it is in stable data taking since 2018. We reached to collect about 1800 kg×yr of exposure of which more than 1 ton×year have been analysed. The CUORE detector is meant to search for the neutrinoless double β decay (0νββ) of the 130 Te isotope. This is a beyond Standard Model process which could establish the nature of the neutrino to be Dirac or a Majorana particle. It is an alternative mode of the two-neutrinos double β decay, a rare decay which have been precisely measured by CUORE in the 130 Te. We found no evidence of the 0νββ and we set a Bayesian lower limit of 2.2 ×10 25 yr on its half-life. The expertise achieved by CUORE set a milestone for any future bolometric detector, including CUPID, which is the planned next generation experiment searching for 0νββ with scintillating bolometers.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Gravitational wave and CMB probes of axion kination

Rotations of an axion field in field space provide a natural origin for an era of kination domination, where the energy density is dominated by the kinetic term of the axion field, preceded by an early era of matter domination. Remarkably, no entropy is produced at the end of matter domination and hence these eras of matter and kination domination may occur even after Big Bang Nucleosynthesis. We derive constraints on these eras from both the cosmic microwave background and Big Bang Nucleosynthesis. We investigate how this cosmological scenario affects the spectrum of possible primordial gravitational waves and find that the spectrum features a triangular peak. We discuss how future observations of gravitational waves can probe the viable parameter space, including regions that produce axion dark matter by the kinetic misalignment mechanism or the baryon asymmetry by axiogenesis. For QCD axion dark matter produced by the kinetic misalignment mechanism, a modification to the inflationary gravitational wave spectrum occurs above 0.01 Hz and, for high values of the energy scale of inflation, the prospects for discovery are good. We briefly comment on implications for structure formation of the universe.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Catlas: an automated framework for catalyst discovery demonstrated for direct syngas conversion

Catalyst discovery is paramount to support access to energy and key chemical feedstocks in a post fossil fuel era. Exhaustive computational searches of large material design spaces using ab initio methods like density functional theory (DFT) are infeasible. We seek to explore large design spaces at relatively low computational cost by leveraging large, generalized, graph-based machine learning (ML) models, which are pretrained and therefore require no upfront data collection or training. We present Catlas, a framework that distributes and automates the generation of adsorbate-surface configurations and ML inference of DFT energies to achieve this goal. Catlas is open source, making ML assisted catalyst screenings easy and available to all. To demonstrate its efficacy, we use Catlas to explore catalyst candidates for the direct conversion of syngas to multi-carbon oxygenates. For this case study, we explore 947 stable/metastable binary, transition metal intermetallics as possible catalyst candidates. On this subset of materials, we are able to predict the adsorption energy of key descriptors, *CO and *OH, with good accuracy (0.16, 0.14 eV MAE, respectively). Using the projected selectivity towards C 2+ oxygenates from an existing microkinetic model, we identified 144 candidate materials. For 10 promising candidates, DFT calculations reveal a good correlation with our assessment using ML. Finally, among the top elemental combinations were Pt–Ti, Pd–V, Ni–Nb, and Ti–Zn, all of which appear unexplored experimentally.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

$\mathrm{CROPSR}$: an automated platform for complex genome-wide $\mathrm{CRISPR}$ g$\mathrm{RNA}$ design and validation

CRISPR/Cas9 technology has become an important tool to generate targeted, highly specific genome mutations. The technology has great potential for crop improvement, as crop genomes are tailored to optimize specific traits over generations of breeding. Many crops have highly complex and polyploid genomes, particularly those used for bioenergy or bioproducts. The majority of tools currently available for designing and evaluating gRNAs for CRISPR experiments were developed based on mammalian genomes that do not share the characteristics or design criteria for crop genomes. We have developed an open source tool for genome-wide design and evaluation of gRNA sequences for CRISPR experiments, CROPSR. The genome-wide approach provides a significant decrease in the time required to design a CRISPR experiment, including validation through PCR, at the expense of an overhead compute time required once per genome, at the first run. To better cater to the needs of crop geneticists, restrictions imposed by other packages on design and evaluation of gRNA sequences were lifted. A new machine learning model was developed to provide scores while avoiding situations in which the currently available tools sometimes failed to provide guides for repetitive, A/T-rich genomic regions. We show that our gRNA scoring model provides a significant increase in prediction accuracy over existing tools, even in non-crop genomes. CROPSR provides the scientific community with new methods and a new workflow for performing CRISPR/Cas9 knockout experiments. CROPSR reduces the challenges of working in crops, and helps speed gRNA sequence design, evaluation and validation. We hope that the new software will accelerate discovery and reduce the number of failed experiments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Tech-X contributions to the Center for Tokamak Transients (CTTS) Scientific Discovery through Advanced Computing (SciDAC) project (Final Report)

The Center for Tokamak Transients Simulations (CTTS) consists of computational plasma physicists, computer scientists, and applied mathematicians who are together developing and applying simulation software to improve our understanding of and ability to predict and control transient events in tokamak discharges, particularly those that lead to violent disruptions. We have major simulation activities concerning disruptions that are caused by violating ideal MHD stability criteria, vertical displacement events, resistive wall modes, and tearing modes. We are performing comprehensive modeling of disruption mitigation techniques, particularly by shattered pellet injection (SPI). The Center is built around two mature extended MHD codes: NIMROD and M3D-C1. These codes are being extended in a number of ways as required by the demands of disruption modeling, and are being optimized to work well for larger problem size and modern computer architectures as required to model tokamak plasmas with realistic parameters over the required timescales. The codes will be coupled to the FronTier code for state-of-the-art modeling of SPI. Validation with experimental data on DIII-D, NSTX, and JET is being facilitated by rigorous uncertainty quantification (UQ). The high-level objectives of the center are to: (1) Develop better understanding and improved predictive capability of when crossing a linear stability boundary will likely lead to a disruption, (2) Provide a tool for calculating vessel forces, both axisymmetric and non-axisymmetric, for worst case VDE and other disruptions in tokamaks, (3) Develop increased understanding and improved predictive capability for locked mode disruptions and how best to avoid them, (4) Develop, verify, and validate 3D models for disruption mitigation by shattered pellets that can be used to design and optimize a system for future tokamaks, and (5) Increase the efficiency and scalability of the M3D-C1 and NIMROD codes so that they can model disruptions in ITER scale devices using the most powerful DOE HPC hardware, and (6) Demonstrate code-coupling via FronTier coupling with NIMROD and M3D-C1 and by interfacing these codes within a WDM framework.

97 MATHEMATICS AND COMPUTING↗